1-[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzamido-3-benzoylsulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-benzamido-3-(benzoylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzamido-3-benzoylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-benzamido-3-(benzoylthio)propanoyl]proline Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c25-19(15-8-3-1-4-9-15)23-17(14-30-22(29)16-10-5-2-6-11-16)20(26)24-13-7-12-18(24)21(27)28/h1-6,8-11,17-18H,7,12-14H2,(H,23,25)(H,27,28)